N-(3-fluoranyl-4-methyl-phenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3)F

InChI

InChI=1S/C18H18FN3O4S/c1-12-2-5-14(10-16(12)19)21-18(24)13-3-6-15(7-4-13)27(25,26)22-9-8-20-17(23)11-22/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,24)